3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride

C14H19Cl2N3O — CID 155874929

IUPAC3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
SMILESCOc1ccccc1-c1cnc2n1CCNCC2.Cl.Cl
InChIInChI=1S/C14H17N3O.2ClH/c1-18-13-5-3-2-4-11(13)12-10-16-14-6-7-15-8-9-17(12)14;;/h2-5,10,15H,6-9H2,1H3;2*1H
InChIKeyXKQNIBMRMQPZKP-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.55
Rot. Bonds2

About 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride

3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride (PubChem CID 155874929) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
PubChem CID155874929
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
SMILESCOc1ccccc1-c1cnc2n1CCNCC2.Cl.Cl
InChIInChI=1S/C14H17N3O.2ClH/c1-18-13-5-3-2-4-11(13)12-10-16-14-6-7-15-8-9-17(12)14;;/h2-5,10,15H,6-9H2,1H3;2*1H
InChIKeyXKQNIBMRMQPZKP-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342007
6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 82391201
3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103523653
3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342097
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211247
3-(2-methoxy-3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103434054
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021730
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211903
5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 174608249
4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 71742594
3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103341959

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride?
The IUPAC name of 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride (CID 155874929) is 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride.
What is the SMILES notation for 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride?
The canonical SMILES for 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride is COc1ccccc1-c1cnc2n1CCNCC2.Cl.Cl.
What is the InChIKey of 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride?
The InChIKey is XKQNIBMRMQPZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.2ClH/c1-18-13-5-3-2-4-11(13)12-10-16-14-6-7-15-8-9-17(12)14;;/h2-5,10,15H,6-9H2,1H3;2*1H.
What are the key properties of 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride?
3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride has a molecular weight of 316.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride is sourced from PubChem (CID 155874929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).